Transmutation in ~(90)SrF_2: A density functional theory study of phase stability in ZrF_2

著录项

• 来源
  《Physical review》 |2012年第9期|p.094104.1-094104.11|共11页
• 作者

  M. Sassi; B. P. Uberuaga; C. R. Stanek; N. A. Marks;

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• 作者单位

  Nanochemistry Research Institute, Curtin University, P.O. Box 131987, Perth, WA 6845, Australia;

  Material Science and Technology Division, Los Alamos National Laboratory, Los Alamos, New Mexico 87545, USA;

  Material Science and Technology Division, Los Alamos National Laboratory, Los Alamos, New Mexico 87545, USA;

  Nanochemistry Research Institute, Curtin University, P.O. Box 131987, Perth, WA 6845, Australia;

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• 收录信息
• 原文格式 PDF
• 正文语种 eng
• 中图分类
• 关键词

  inorganic compounds; radioactive wastes, waste disposal; density functional theory, local density approximation, gradient and other corrections; electron density of states and band structure of crystalline solids;

  机译：无机化合物放射性废物;废物处置;密度泛函理论;局部密度近似;梯度和其他校正;态固体的电子密度和能带结构;